1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]acetyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-1-oxoethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[(3,5-dimethylisoxazol-4-yl)methylthio]acetyl]proline Formula: C13H18N2O4S MolecularWeight: 298.35802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSCC(=O)N2CCCC2C(=O)O

Isomeric SMILES

CC1=C(C(=NO1)C)CSCC(=O)N2CCCC2C(=O)O

InChI

InChI=1S/C13H18N2O4S/c1-8-10(9(2)19-14-8)6-20-7-12(16)15-5-3-4-11(15)13(17)18/h11H,3-7H2,1-2H3,(H,17,18)